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Version 2 2024-03-07, 17:35Version 2 2024-03-07, 17:35
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journal contribution
posted on 2024-03-08, 17:05authored byGary C. George III, Mahshad Karimi, Navkiran Juneja, Daniel K. Unruh, Ryan H. Groeneman, Kristin M. Hutchins
The thermal expansion behavior of a series of halogen-bonded
cocrystals
containing 1,4-diiodoperchlorobenzene as the donor is described. Two
of the solids are polymorphs and contain 4-stilbazole as the acceptor,
while the third solid contains 4-(phenylethynyl)pyridine as the acceptor,
and this solid is isostructural with one of the polymorphs. All solids
are sustained by I···N halogen bonds, and the least
thermal expansion occurs along this direction in all solids. The polymorphs
exhibit significant differences in π stacking, and we show that
electronically similar face-to-face stacked rings undergo more expansion
compared to electronically different stacked rings. Moreover, in the
two polymorphs, the directions of moderate expansion and most expansion
are reversed, demonstrating how cocrystal polymorphism can affect
material properties.